CID 12167909

Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide

Structural Information

Molecular Formula
C6HF14NO4S2
SMILES
C(C(F)(F)F)(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF14NO4S2/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16/h21H
InChIKey
LMASMPWURZYBEE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

279
Patents

480.91235 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.91963 160.3
[M+Na]+ 503.90157 164.5
[M-H]- 479.90507 166.8
[M+NH4]+ 498.94617 169.3
[M+K]+ 519.87551 169.9
[M+H-H2O]+ 463.90961 163.6
[M+HCOO]- 525.91055 181.5
[M+CH3COO]- 539.92620 226.4
[M+Na-2H]- 501.88702 184.3
[M]+ 480.91180 162.8
[M]- 480.91290 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe